Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 2/20 | 0.40 |
| ▸ | ACACB | O00763 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1811957 | 0.89 | EPHX2 (0.43) | EPHX2GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL1812730 | 0.86 | PSMB5 (0.50) | PSMB5GAARORCRAB9AMAPT | |
| SCHEMBL5501954 | 0.85 | PSMB5 (0.44) | PSMB5RORCRAB9AMAPTMAPK1 | |
| SCHEMBL1814796 | 0.84 | PTGES (0.53) | EPHX2MMP2MMP9PTGESACACB | |
| SCHEMBL5498485 | 0.83 | RORC (0.46) | RORCNPC1RAB9A | |
| SCHEMBL12626731 | 0.83 | PSMB5 (0.49) | PSMB5GAARORCRAB9ASMN1; SMN2 | |
| SCHEMBL5501950 | 0.83 | PSMB5 (0.43) | PSMB5RORCRAB9AMAPTMAPK1 | |
| SCHEMBL1812725 | 0.80 | PTGES (0.49) | EPHX2SMN1; SMN2MAPTMAPK1PTGES | |
| SCHEMBL1810232 | 0.79 | MMP2 (0.47) | MMP2MMP9ACACBPPARA | |
| SCHEMBL1812949 | 0.78 | ACACB (0.49) | EPHX2MMP2MMP9ACACB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7947851-B2 | 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors | MERCK SERONO SA (CH) | 2011-05-24 | — | — | US | claimed |
| US-7947851-B2 | 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors | MERCK SERONO SA (CH) | 2011-05-24 | — | — | US | disclosed |